3-(1-adamantyl)-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2-mercaptoethyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2-mercaptoethyl)-1-phenyl-pyrazole-4-carboxamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NCCS)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NCCS)C5=CC=CC=C5

InChI

InChI=1S/C22H27N3OS/c26-21(23-6-7-27)19-14-25(18-4-2-1-3-5-18)24-20(19)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-5,14-17,27H,6-13H2,(H,23,26)